1-(3,4-difluorophenyl)-N-(2-methoxy-5-sulfamoylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

C20H18F2N4O4S — CID 55910672

IUPAC1-(3,4-difluorophenyl)-N-(2-methoxy-5-sulfamoylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCOc1ccc(S(N)(=O)=O)cc1NC(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2
InChIInChI=1S/C20H18F2N4O4S/c1-30-18-8-6-12(31(23,28)29)10-16(18)24-20(27)19-13-3-2-4-17(13)26(25-19)11-5-7-14(21)15(22)9-11/h5-10H,2-4H2,1H3,(H,24,27)(H2,23,28,29)
InChIKeyCBKVXGMCJRPVTN-UHFFFAOYSA-N
MW448.45 g/mol
LogP2.55
Rot. Bonds5

About 1-(3,4-difluorophenyl)-N-(2-methoxy-5-sulfamoylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

1-(3,4-difluorophenyl)-N-(2-methoxy-5-sulfamoylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (PubChem CID 55910672) has the molecular formula C20H18F2N4O4S and a molecular weight of 448.45 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-N-(2-methoxy-5-sulfamoylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-N-(2-methoxy-5-sulfamoylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
PubChem CID55910672
Molecular FormulaC20H18F2N4O4S
Molecular Weight448.45 g/mol
Exact Mass448.10
IUPAC Name1-(3,4-difluorophenyl)-N-(2-methoxy-5-sulfamoylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCOc1ccc(S(N)(=O)=O)cc1NC(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2
InChIInChI=1S/C20H18F2N4O4S/c1-30-18-8-6-12(31(23,28)29)10-16(18)24-20(27)19-13-3-2-4-17(13)26(25-19)11-5-7-14(21)15(22)9-11/h5-10H,2-4H2,1H3,(H,24,27)(H2,23,28,29)
InChIKeyCBKVXGMCJRPVTN-UHFFFAOYSA-N
XLogP2.55
TPSA116.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.45
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3,4-difluorophenyl)-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55771564
N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1-(3,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55784533
N-(2-benzamidophenyl)-1-(3,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55932728
N-(5-acetamido-2-methoxyphenyl)-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
CID 24608361
1-[1-(3,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-2,3-dihydroindole-6-sulfonamide
CID 86973589
1-(4-fluorophenyl)-N-(2-methoxyphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
CID 24592437
1-(3,4-difluorophenyl)-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 60508636
1-(3,4-difluorophenyl)-N-(4-nitrophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55773312
N-(3-aminopropyl)-1-(3,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride
CID 119407715
4-(3,5-dimethylpyrazol-1-yl)-N-(2-methoxy-5-sulfamoylphenyl)benzamide
CID 55471494
2-hydroxyethyl 1-(3,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate
CID 71938033
N-(2,4-dimethoxyphenyl)-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
CID 24593066

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-N-(2-methoxy-5-sulfamoylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of 1-(3,4-difluorophenyl)-N-(2-methoxy-5-sulfamoylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (CID 55910672) is 1-(3,4-difluorophenyl)-N-(2-methoxy-5-sulfamoylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(3,4-difluorophenyl)-N-(2-methoxy-5-sulfamoylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for 1-(3,4-difluorophenyl)-N-(2-methoxy-5-sulfamoylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is COc1ccc(S(N)(=O)=O)cc1NC(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2.
What is the InChIKey of 1-(3,4-difluorophenyl)-N-(2-methoxy-5-sulfamoylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is CBKVXGMCJRPVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4O4S/c1-30-18-8-6-12(31(23,28)29)10-16(18)24-20(27)19-13-3-2-4-17(13)26(25-19)11-5-7-14(21)15(22)9-11/h5-10H,2-4H2,1H3,(H,24,27)(H2,23,28,29).
What are the key properties of 1-(3,4-difluorophenyl)-N-(2-methoxy-5-sulfamoylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
1-(3,4-difluorophenyl)-N-(2-methoxy-5-sulfamoylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 448.45 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-N-(2-methoxy-5-sulfamoylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 55910672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).